N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)butanamide

C18H17ClF3NO2 — CID 43886287

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C18H17ClF3NO2/c1-3-15(25-16-7-5-4-6-11(16)2)17(24)23-12-8-9-14(19)13(10-12)18(20,21)22/h4-10,15H,3H2,1-2H3,(H,23,24)
InChIKeySJIBUBZOPPTZPN-UHFFFAOYSA-N
MW371.79 g/mol
LogP5.46
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)butanamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)butanamide (PubChem CID 43886287) has the molecular formula C18H17ClF3NO2 and a molecular weight of 371.79 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)butanamide
PubChem CID43886287
Molecular FormulaC18H17ClF3NO2
Molecular Weight371.79 g/mol
Exact Mass371.09
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C18H17ClF3NO2/c1-3-15(25-16-7-5-4-6-11(16)2)17(24)23-12-8-9-14(19)13(10-12)18(20,21)22/h4-10,15H,3H2,1-2H3,(H,23,24)
InChIKeySJIBUBZOPPTZPN-UHFFFAOYSA-N
XLogP5.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.79
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,3-dimethylphenoxy)butanamide
CID 92672729
(2S)-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 99942375
N-(3-amino-4-chlorophenyl)-2-(2-methylphenoxy)butanamide
CID 46735826
(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide
CID 92680808
(2S)-N-(3-fluorophenyl)-2-(2-methylphenoxy)butanamide
CID 92686201
4-[2-(2-methylphenoxy)butanoylamino]benzoic acid
CID 54854325
N-(3-chloro-4-fluorophenyl)-3-[2-(2-methylphenoxy)butanoylamino]benzamide
CID 43877925
(2S)-N-(3-chloro-4-fluorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 94012112
N-(3-aminophenyl)-2-(2-methylphenoxy)butanamide
CID 46735775
N-(3,4-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide
CID 17034086
N-(3-chloro-4-fluorophenyl)-2-(2-chlorophenoxy)butanamide
CID 43905967
N-(2,4-dichlorophenyl)-2-(2-methylphenoxy)butanamide
CID 4931772

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)butanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)butanamide (CID 43886287) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)butanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)butanamide is CCC(Oc1ccccc1C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)butanamide?
The InChIKey is SJIBUBZOPPTZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3NO2/c1-3-15(25-16-7-5-4-6-11(16)2)17(24)23-12-8-9-14(19)13(10-12)18(20,21)22/h4-10,15H,3H2,1-2H3,(H,23,24).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)butanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)butanamide has a molecular weight of 371.79 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)butanamide is sourced from PubChem (CID 43886287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).